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Structure paper

TitleTetrahydrobenzothiophene derivatives: conformationally restricted inhibitors of type II dehydroquinase.
Journal, issue, pagesChemMedChem, Vol. 6, Page 266-272, Year 2011
Publish dateApr 30, 2010 (structure data deposition date)
AuthorsPaz, S. / Tizon, L. / Otero, J.M. / Llamas-Saiz, A.L. / Fox, G.C. / van Raaij, M.J. / Lamb, H. / Hawkins, A.R. / Lapthorn, A.J. / Castedo, L. / Gonzalez-Bello, C.
External linksChemMedChem / PubMed:21275050
MethodsX-ray diffraction
Resolution1.85 - 1.95 Å
Structure data

PDB-2xd9:
STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-4,6,7-Trihydroxy-2-((E)-prop-1- enyl)-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-2xda:
STRUCTURE OF HELICOBACTER PYLORI TYPE II DEHYDROQUINASE IN COMPLEX WITH INHIBITOR COMPOUND (4R,6R,7S)-2-(2-Cyclopropyl)ethyl-4,6,7- trihydroxy-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-XD9:
(4R,6R,7S)-4,6,7-TRIHYDROXY-2-[(1E)-PROP-1-EN-1-YL]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID

ChemComp-HOH:
WATER

ChemComp-JPS:
(4R,6R,7S)-2-(2-CYCLOPROPYLETHYL)-4,6,7-TRIHYDROXY-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-4-CARBOXYLIC ACID

Source
  • helicobacter pylori (bacteria)
KeywordsLYASE / AROMATIC AMINO ACID BIOSYNTHESIS

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